2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5-nitrobenzonitrile Traditional Name: 2-[4-(2-naphthylsulfonyl)piperazino]-5-nitro-benzonitrile Formula: C21H18N4O4S MolecularWeight: 422.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N4O4S/c22-15-18-13-19(25(26)27)6-8-21(18)23-9-11-24(12-10-23)30(28,29)20-7-5-16-3-1-2-4-17(16)14-20/h1-8,13-14H,9-12H2